2447-2554 Screening compound: 4-[(Z)-1-(1,3-benzodioxol-5-yl)methylidene]-2-(4-bromophenyl)-1-(2,5-dimethylphenyl)-1H-imidazol-5-one

2447-2554 Screening compound: 4-[(Z)-1-(1,3-benzodioxol-5-yl)methylidene]-2-(4-bromophenyl)-1-(2,5-dimethylphenyl)-1H-imidazol-5-one
2447-2554 Screening compound: 4-[(Z)-1-(1,3-benzodioxol-5-yl)methylidene]-2-(4-bromophenyl)-1-(2,5-dimethylphenyl)-1H-imidazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2447-2554
4-[(Z)-1-(1,3-benzodioxol-5-yl)methylidene]-2-(4-bromophenyl)-1-(2,5-dimethylphenyl)-1H-imidazol-5-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

2447-2554

Molecular Formula

C25H19BrN2O3 (C25 H19 BrN2 O3)

Compound Name

4-[(Z)-1-(1,3-benzodioxol-5-yl)methylidene]-2-(4-bromophenyl)-1-(2,5-dimethylphenyl)-1H-imidazol-5-one

IUPAC name

(4Z)-4-[(2H-13-benzodioxol-5-yl)methylidene]-2-(4-bromophenyl)-1-(25-dimethylphenyl)-45-dihydro-1H-imidazol-5-one

SMILES

Cc1cc(N(C2=O)C(c(cc3)ccc3Br)=N/C2=C\c(cc2)cc3c2OCO3)c(C)cc1

InChI

InChI=1S/C25H19BrN2O3/c1-15-3-4-16(2)21(11-15)28-24(18-6-8-19(26)9-7-18)27-20(25(28)29)12-17-5-10-22-23(13-17)31-14-30-22/h3-13H,14H2,1-2H3

InChI Key

QXBWICMHFMCVIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01842302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.324

Distribution Coefficient, logD

6.324

Water Solubility, LogSw

-5.51

Polar Surface Area

41.743

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

2447-2554 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2447-2554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2447-2554?
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What is the minimum amount of 2447-2554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2447-2554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2447-2554
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 2447-2554 available by request